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CHEBI:218930 - Fumigaclavine E

ChEBI IDCHEBI:218930
ChEBI NameFumigaclavine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N2O
Net Charge0
Average Mass324.468
Monoisotopic Mass324.22016
SMILESC=CC(C)(C)c1nc2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](O)[C@H](C)CN1C
InChIInChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16-,18-,19+/m1/s1
InChIKeyVCXCXXJJHZVDSD-WTMJQUOKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (25127024)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Fumigaclavine E (CHEBI:218930) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6aR,9R,10S,10aR)-7,9-dimethyl-5-(2-methylbut-3-en-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinolin-10-ol
Manual XrefsDatabases
58828643ChemSpider